SCHEMBL8950535

SCHEMBL8950535

CC(C)(C)C1CSC(c2ccc(C(F)(F)F)cc2F)SC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 9/20 0.39
GABRD O14764 9/20 0.39
GABRA1 P14867 9/20 0.39
GABRB1 P18505 9/20 0.39
GABRG2 P18507 9/20 0.39
GABRB3 P28472 9/20 0.39
GABRA5 P31644 9/20 0.39
GABRA3 P34903 9/20 0.39
GABRA2 P47869 9/20 0.39
GABRB2 P47870 9/20 0.39
GABRA4 P48169 9/20 0.39
GABRE P78334 9/20 0.39
GABRA6 Q16445 9/20 0.39
GABRG1 Q8N1C3 9/20 0.39
GABRG3 Q99928 9/20 0.39
GABRQ Q9UN88 9/20 0.39
PDE2A O00408 3/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8950531 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950474 0.81 KDM1A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950467 0.81 KDM1A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950620 0.81 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950631 0.78 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950597 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950700 0.77 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950656 0.76 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950658 0.76 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9678706 0.73 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed